TL;DR: 6-(Aminomethyl)-3-methyl-2-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) (CAS 101442-02-8) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.08694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methyl-4-oxo-2-phenylchromen-6-yl)methylazanium chloride
Also Known As: REC 7-0278, 6-(Aminomethyl)-3-methyl-flavone hydrochloride, 3-Metil-6-amminometil-flavone-cloridrato, 3-Metil-6-amminometil-flavone-cloridrato [Italian], (3-methyl-4-oxo-2-phenylchromen-6-yl)methylazanium chloride
| Molecular Formula | C17H16ClNO2 |
| Molecular Weight | 301.08694 g/mol |
| XLogP | -0.49 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.08694 Da |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
| SMILES | CC1=C(OC2=C(C1=O)C=C(C=C2)C[NH3+])C3=CC=CC=C3.[Cl-] |
| InChIKey | QCZCOGXOBWVRGX-UHFFFAOYSA-N |
The XLogP value of -0.49 indicates that 6-(Aminomethyl)-3-methyl-2-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, 6-(Aminomethyl)-3-methyl-2-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Aminomethyl)-3-methyl-2-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(Aminomethyl)-3-methyl-2-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) is 101442-02-8.
The molecular formula of 6-(Aminomethyl)-3-methyl-2-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) is C17H16ClNO2.
The molecular weight of 6-(Aminomethyl)-3-methyl-2-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) is 301.08694 g/mol.
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